| SpectraBase Compound ID | J4x8JOLZ79g |
|---|---|
| InChI | InChI=1S/C54H86O23/c1-22-30(56)32(58)37(63)45(71-22)75-41-25(20-55)72-44(40(66)36(41)62)70-21-26-31(57)33(59)38(64)46(73-26)77-48(69)54-17-15-49(2,3)19-24(54)23-9-10-28-51(6)13-12-29(74-47-39(65)34(60)35(61)42(76-47)43(67)68)50(4,5)27(51)11-14-53(28,8)52(23,7)16-18-54/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24+,25-,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-,40-,41-,42+,44-,45-,46+,47-,51?,52?,53?,54+/m1/s1 |
| InChIKey | RJWVNQDEFVAPCR-OTXZLHLTSA-N |
| Mol Weight | 1103.3 g/mol |
| Molecular Formula | C54H86O23 |
| Exact Mass | 1102.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8WoAmPC0Yux |
|---|---|
| Name | SCHEFFERASIDE-II |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O23 |
| InChI | InChI=1S/C54H86O23/c1-22-30(56)32(58)37(63)45(71-22)75-41-25(20-55)72-44(40(66)36(41)62)70-21-26-31(57)33(59)38(64)46(73-26)77-48(69)54-17-15-49(2,3)19-24(54)23-9-10-28-51(6)13-12-29(74-47-39(65)34(60)35(61)42(76-47)43(67)68)50(4,5)27(51)11-14-53(28,8)52(23,7)16-18-54/h9,22,24-42,44-47,55-66H,10-21H2,1-8H3,(H,67,68)/t22-,24+,25-,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-,40-,41-,42+,44-,45-,46+,47-,51?,52?,53?,54+/m1/s1 |
| InChIKey | RJWVNQDEFVAPCR-OTXZLHLTSA-N |
| Literature Reference Author | V.MSHVILDADZE,R.ELIAS,R.FAURE,L.DEBRAUWER,G.DEKANOSIDZE,E.KE MERTELIDZE,G.BALANSA |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,752(2001) |
| Literature Reference DOI | 10.1248/cpb.49.752 |
| Molecular Weight | 1103.263 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU31731 |